aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02011 | 3.3 | 254.34 | C14H12N3S | Cc1cccc(CSc2ncnc3c2C=C[N]3)c1 |
|
AD02012 | -1.67 | 165.23 | C6H13O3S | C[S+]1CC(O)C(O)C1CO |
|
AD02013 | 0.97 | 179.23 | C7H7N4S | CSC1=C[N]c2ncnc(N)c21 |
|
AD02014 | 1.9 | 137.14 | C7H7O2N | Cc1ccccc1[N+](=O)[O-] |
|
AD02015 | 2.65 | 126.59 | C8H7Cl | Cc1ccc(Cl)cc1 |
|
AD02016 | 11.51 | 621.0 | C39H72O5 | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
|
AD02017 | 1.33 | 217.23 | C11H11O2N3 | Cc1c(C(=O)O)nnn1Cc1ccccc1 |
|
AD02018 | 5.71 | 472.71 | C30H48O4 | CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C1(C)O |
|
AD02019 | 0.54 | 172.18 | C8H12O4 | C=CCCOC(=O)C=C(O)CO |
|
AD02020 | 0.74 | 100.12 | C5H8O2 | C=CCCOC=O |